SCHEMBL29122612

SCHEMBL29122612

O=C(O)N1CC[C@H](n2nc3ccc(Br)cc3c2CO)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.35
▸ PPARG P37231 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CNR1 P21554 4/20 0.35
▸ FPR2 P25090 1/20 0.34
▸ BTK Q06187 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ L3MBTL3 Q96JM7 4/20 0.33
▸ L3MBTL1 Q9Y468 4/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ L3MBTL4 Q8NA19 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29122614 1.00 POLB (0.35) POLBPPARGATMRXFP1NCOR2
SCHEMBL29121909 0.85 USP30 (0.42) FPR2BTK
SCHEMBL29121906 0.85 USP30 (0.42) FPR2BTK
SCHEMBL29122015 0.80 GPR119 (0.43) CNR1FPR2CYP3A4
SCHEMBL29122350 0.80 TEAD1 (0.37) POLBCNR1FPR2BTKL3MBTL3
SCHEMBL29122348 0.80 TEAD1 (0.37) POLBCNR1FPR2BTKL3MBTL3
SCHEMBL29121967 0.80 MAPT (0.36) POLBPPARGATMRXFP1NCOR2
SCHEMBL29122457 0.80 MAPT (0.38) POLBPPARGATMRXFP1NCOR2
SCHEMBL29123043 0.78 POLB (0.40) POLBPPARGATMRXFP1NCOR2
SCHEMBL29122435 0.78 USP30 (0.42) FPR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117120419-A KLK5 bicyclic heteroaromatic inhibitors 拜奥克里斯特制药公司 2023-11-24 — — CN disclosed
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